J006-0353 Screening compound: methyl 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}benzoate

J006-0353 Screening compound: methyl 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}benzoate
J006-0353 Screening compound: methyl 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-0353
methyl 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J006-0353

Molecular Formula

C18H22N2O3 (C18 H22 N2 O3)

Compound Name

methyl 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}benzoate

IUPAC name

methyl 4-{[2-(35-dimethyl-12-oxazol-4-yl)pyrrolidin-1-yl]methyl}benzoate

SMILES

Cc1noc(C)c1C1N(Cc(cc2)ccc2C(OC)=O)CCC1

InChI

InChI=1S/C18H22N2O3/c1-12-17(13(2)23-19-12)16-5-4-10-20(16)11-14-6-8-15(9-7-14)18(21)22-3/h6-9,16H,4-5,10-11H2,1-3H3/t16-/m0/s1

InChI Key

RIWGVAKBNFGIGP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27215506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

1.227

Water Solubility, LogSw

-2.91

Polar Surface Area

47.137

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

J006-0353 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J006-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-0353?
Check Price and Availability of J006-0353, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J006-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-0353
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of J006-0353 available by request